Description

2,3,4-Trichloronitrobenzene (CAS No. 17700-09-3) is a high-purity chlorinated nitrobenzene derivative with the molecular formula C₆H₂Cl₃NO₂ and IUPAC name 1,2,3-trichloro-4-nitrobenzene. This fine chemical is meticulously synthesized for research and industrial applications, offering exceptional consistency and batch-to-batch reliability. Its crystalline form and well-defined trichloro-nitro substitution pattern make it invaluable for synthetic organic chemistry, particularly in electrophilic aromatic substitution studies and as a precursor for agrochemicals. Packaged under inert conditions to ensure stability, this compound is characterized by GC/HPLC purity ≥98% (typical) and is supplied with comprehensive analytical documentation including ¹H NMR and FTIR spectra for verification. Suitable for use in GLP-compliant laboratories.

Properties

• CAS Number: 17700-09-3
• Complexity: 184
• IUPAC Name: 1,2,3-trichloro-4-nitro-benzene
• InChI: InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
• InChI Key: BGKIECJVXXHLDP-UHFFFAOYSA-N
• Exact Mass: 224.915111
• Molecular Formula: C6H2Cl3NO2
• Molecular Weight: 226.4
• SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl
• Topological: 45.8
• Monoisotopic Mass: 224.915111
• Physical Description: 2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid.
• Melting Point: 131 to 133 °F
• Solubility: less than 1 mg/mL at 73 °F
• Vapor Pressure: 0.000792 [mmHg]
• Synonyms: 2,3,4-TRICHLORONITROBENZENE, 1,2,3-Trichloro-4-nitrobenzene, 17700-09-3, Benzene, 1,2,3-trichloro-4-nitro-, 2,3,4-Trichloro-1-nitrobenzene, 4-Nitro-1,2,3-trichlorobenzene, Benzene, 4-nitro-1,2,3-trichloro-, EINECS 241-705-5, NSC 91490, BRN 2211951, DTXSID0026202, NSC-91490, 339A4728AK, DTXCID806202, 1-Nitro-2,3,4-trichlorobenzene, 2-05-00-00186 (Beilstein Handbook Reference), TRICHLORONITROBENZENE, 2,3,4-, 2,3,4Trichloronitrobenzene, 1Nitro2,3,4trichlorobenzene, 2,3,4Trichloro1nitrobenzene, 4Nitro1,2,3trichlorobenzene, Benzene, 1,2,3trichloro4nitro, Benzene, 4nitro1,2,3trichloro, 2,3,4,TCNB, Benzene, 1,2,3trichloro4nitro (8CI), Benzene, 1,2,3-trichloro-4-nitro-(8CI), Benzene, 1,2,3trichloro4nitro (8CI)(9CI), Benzene, 1,2,3-trichloro-4-nitro-(8CI)(9CI), inchi=1/c6h2cl3no2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2, Trichloronitrobenzene, 29595-61-7, 1,2,3-Trichloronitrobenzene, MLS002152856, SMR001224480, UNII-339A4728AK, 1,2,3-Trichloro-4-nitrobenzene; 2,3,4-Trichloro-1-nitrobenzene; 2,3,4-Trichloronitrobenzene; NSC 91490, EINECS 249-716-7, MFCD00007063, 2,4-Trichloronitrobenzene, cid_28697, SCHEMBL278488, 2,3,4-trichloronitro-benzene, 2,4-Trichloro-1-nitrobenzene, CHEMBL354330, 2,3,4-trichloro-nitro-benzene, BDBM74251, Benzene,2,3-trichloro-4-nitro-, 1,2,3-Trichloro-4-nitro-benzene, NSC91490, Tox21_200670, SBB009919, AKOS015890182, 1,2,3-Trichloro-4-nitrobenzene, 97%, 1,2,3-tris(chloranyl)-4-nitro-benzene, NCGC00091260-01, NCGC00091260-02, NCGC00258224-01, AC-26229, ST060496, CAS-17700-09-3, DB-044282, CS-0157190, NS00025831, T1197, EN300-185712, Q27256251

Application

2,3,4-Trichloronitrobenzene serves as a key intermediate in the synthesis of specialized agrochemicals, particularly herbicides and fungicides. Its electron-deficient aromatic ring system enables participation in nucleophilic displacement reactions to generate heterocyclic compounds. Researchers utilize this compound in material science for developing liquid crystal precursors and as a model substrate for studying halogen-nitro aromatic interactions. The trichloro substitution pattern also facilitates investigations into steric effects in organic transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (54.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (53.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (53.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (53.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (53.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (53.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (54.3%)
• Acute Tox. 4 (53.1%)
• Skin Irrit. 2 (53.1%)
• Eye Irrit. 2 (53.1%)
• Acute Tox. 4 (53.1%)
• STOT SE 3 (53.1%)

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